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(5E)-1-allyl-5-[1-(4-fluoroanilino)propylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione

View entire compound with spectra: 2 NMR

(5E)-1-allyl-5-[1-(4-fluoroanilino)propylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID F5XiInW3QWR
InChI InChI=1S/C16H16FN3O3/c1-3-9-20-15(22)13(14(21)19-16(20)23)12(4-2)18-11-7-5-10(17)6-8-11/h3,5-8,18H,1,4,9H2,2H3,(H,19,21,23)/b13-12+
InChIKey HNRWLNCDCIGMLG-OUKQBFOZSA-N
Mol Weight 317.32 g/mol
Molecular Formula C16H16FN3O3
Exact Mass 317.11757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5Q0JmuUVFf
Name (5E)-1-Allyl-5-[1-(4-fluoroanilino)propylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.117569547 u
Formula C16H16FN3O3
InChI InChI=1S/C16H16FN3O3/c1-3-9-20-15(22)13(14(21)19-16(20)23)12(4-2)18-11-7-5-10(17)6-8-11/h3,5-8,18H,1,4,9H2,2H3,(H,19,21,23)/b13-12+
InChIKey HNRWLNCDCIGMLG-OUKQBFOZSA-N
Molecular Weight 317.320 g/mol
SMILES N(\C(=C\1C(N(CC=C)C(NC1=O)=O)=O)CC)C=1C=CC(=CC1)F